N-(3-phenoxy-4-pyridinyl)methanesulfonamide

C12H12N2O3S — CID 10244543

IUPACN-(3-phenoxy-4-pyridinyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccncc1Oc1ccccc1
InChIInChI=1S/C12H12N2O3S/c1-18(15,16)14-11-7-8-13-9-12(11)17-10-5-3-2-4-6-10/h2-9H,1H3,(H,13,14)
InChIKeyCQEDUEBRINEBGP-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.25
Rot. Bonds4

About N-(3-phenoxy-4-pyridinyl)methanesulfonamide

N-(3-phenoxy-4-pyridinyl)methanesulfonamide (PubChem CID 10244543) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(3-phenoxy-4-pyridinyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-phenoxy-4-pyridinyl)methanesulfonamide
PubChem CID10244543
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC NameN-(3-phenoxy-4-pyridinyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccncc1Oc1ccccc1
InChIInChI=1S/C12H12N2O3S/c1-18(15,16)14-11-7-8-13-9-12(11)17-10-5-3-2-4-6-10/h2-9H,1H3,(H,13,14)
InChIKeyCQEDUEBRINEBGP-UHFFFAOYSA-N
XLogP2.25
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxy-4-pyridinyl)methanesulfonamide?
The IUPAC name of N-(3-phenoxy-4-pyridinyl)methanesulfonamide (CID 10244543) is N-(3-phenoxy-4-pyridinyl)methanesulfonamide.
What is the SMILES notation for N-(3-phenoxy-4-pyridinyl)methanesulfonamide?
The canonical SMILES for N-(3-phenoxy-4-pyridinyl)methanesulfonamide is CS(=O)(=O)Nc1ccncc1Oc1ccccc1.
What is the InChIKey of N-(3-phenoxy-4-pyridinyl)methanesulfonamide?
The InChIKey is CQEDUEBRINEBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-18(15,16)14-11-7-8-13-9-12(11)17-10-5-3-2-4-6-10/h2-9H,1H3,(H,13,14).
What are the key properties of N-(3-phenoxy-4-pyridinyl)methanesulfonamide?
N-(3-phenoxy-4-pyridinyl)methanesulfonamide has a molecular weight of 264.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxy-4-pyridinyl)methanesulfonamide is sourced from PubChem (CID 10244543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).